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CHEBI:3048 - benzatropine

ChEBI IDCHEBI:3048
ChEBI Namebenzatropine
Stars
DefinitionTropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments.
Secondary ChEBI IDCHEBI:661238
Last Modified6 March 2020
DownloadsMolfile

FormulaC21H25NO
Net Charge0
Average Mass307.437
Monoisotopic Mass307.19361
SMILES[H][C@@]1(OC(c2ccccc2)c2ccccc2)C[C@]2([H])CC[C@]([H])(C1)N2C
InChIInChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
InChIKeyGIJXKZJWITVLHI-PMOLBWCYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
(3-endo)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane
INNs  Source
benzatropineKEGG DRUG
benzatropina  esChemIDplus
benzatropinum  laChemIDplus
Synonyms  Source
BenztropineKEGG COMPOUND
3α-(diphenylmethoxy)tropaneChEBI
3α-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octaneChEBI
3endo-benzhydryloxytropaneChEBI
tropine benzohydryl etherNIST Chemistry WebBook
3α-(diphenylmethoxy)-1αH,5αH-tropaneNIST Chemistry WebBook
Manual XrefsDatabases
C06846KEGG COMPOUND
DB00245DrugBank
D07511KEGG DRUG
US2595405Patent
BenzatropineWikipedia
333DrugCentral
Registry NumbersSources
Beilstein:90688Beilstein
CAS:86-13-5KEGG COMPOUND
CAS:86-13-5ChemIDplus
CAS:86-13-5NIST Chemistry WebBook